(2S)-2-(3-chlorophenoxy)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]propanamide

C17H19ClN4O3 — CID 52503874

IUPAC(2S)-2-(3-chlorophenoxy)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]propanamide
SMILESC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cnn(CC(=O)NC2CC2)c1
InChIInChI=1S/C17H19ClN4O3/c1-11(25-15-4-2-3-12(18)7-15)17(24)21-14-8-19-22(9-14)10-16(23)20-13-5-6-13/h2-4,7-9,11,13H,5-6,10H2,1H3,(H,20,23)(H,21,24)/t11-/m0/s1
InChIKeyHYFRCNKEYDNQFS-NSHDSACASA-N
MW362.82 g/mol
LogP2.22
Rot. Bonds7

About (2S)-2-(3-chlorophenoxy)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]propanamide

(2S)-2-(3-chlorophenoxy)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]propanamide (PubChem CID 52503874) has the molecular formula C17H19ClN4O3 and a molecular weight of 362.82 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenoxy)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenoxy)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]propanamide
PubChem CID52503874
Molecular FormulaC17H19ClN4O3
Molecular Weight362.82 g/mol
Exact Mass362.11
IUPAC Name(2S)-2-(3-chlorophenoxy)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]propanamide
SMILESC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cnn(CC(=O)NC2CC2)c1
InChIInChI=1S/C17H19ClN4O3/c1-11(25-15-4-2-3-12(18)7-15)17(24)21-14-8-19-22(9-14)10-16(23)20-13-5-6-13/h2-4,7-9,11,13H,5-6,10H2,1H3,(H,20,23)(H,21,24)/t11-/m0/s1
InChIKeyHYFRCNKEYDNQFS-NSHDSACASA-N
XLogP2.22
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(4-chlorophenoxy)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]propanamide
CID 155950480
2-(3-chlorophenoxy)-N-[1-(cyclopropylmethyl)pyrazol-4-yl]propanamide
CID 110280822
(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
CID 7722254
2-bromo-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylbutanamide
CID 60933891
2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 51206927
2-(3-chlorophenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide
CID 55658570
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
(2R)-2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 42561318
N-cyclopropyl-2-[4-(propan-2-ylamino)pyrazol-1-yl]acetamide
CID 60931819
(2R)-2-(3-chlorophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 42562531
2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybutanamide
CID 62472501
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-ethylbutanamide
CID 49054716

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenoxy)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]propanamide?
The IUPAC name of (2S)-2-(3-chlorophenoxy)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]propanamide (CID 52503874) is (2S)-2-(3-chlorophenoxy)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]propanamide.
What is the SMILES notation for (2S)-2-(3-chlorophenoxy)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]propanamide?
The canonical SMILES for (2S)-2-(3-chlorophenoxy)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]propanamide is C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cnn(CC(=O)NC2CC2)c1.
What is the InChIKey of (2S)-2-(3-chlorophenoxy)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]propanamide?
The InChIKey is HYFRCNKEYDNQFS-NSHDSACASA-N. The full InChI is InChI=1S/C17H19ClN4O3/c1-11(25-15-4-2-3-12(18)7-15)17(24)21-14-8-19-22(9-14)10-16(23)20-13-5-6-13/h2-4,7-9,11,13H,5-6,10H2,1H3,(H,20,23)(H,21,24)/t11-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenoxy)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]propanamide?
(2S)-2-(3-chlorophenoxy)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]propanamide has a molecular weight of 362.82 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chlorophenoxy)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]propanamide is sourced from PubChem (CID 52503874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).